N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

C17H25N5OS — CID 22090956

IUPACN-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)CCc2sc(C)cc2C)n1
InChIInChI=1S/C17H25N5OS/c1-6-15(23)21-17-20-13(5)19-16(22-17)18-11(3)7-8-14-10(2)9-12(4)24-14/h9,11H,6-8H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyMLNKDKOPXWLUKU-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.64
Rot. Bonds7

About N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (PubChem CID 22090956) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
PubChem CID22090956
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)CCc2sc(C)cc2C)n1
InChIInChI=1S/C17H25N5OS/c1-6-15(23)21-17-20-13(5)19-16(22-17)18-11(3)7-8-14-10(2)9-12(4)24-14/h9,11H,6-8H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyMLNKDKOPXWLUKU-UHFFFAOYSA-N
XLogP3.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]formamide
CID 22090955
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090942
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874272
N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
CID 21349455
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
methyl 3-[2-[[4-methyl-6-(propanoylamino)-1,3,5-triazin-2-yl]amino]propoxymethyl]benzoate
CID 21349345
6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 22090865

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (CID 22090956) is N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(C)CCc2sc(C)cc2C)n1.
What is the InChIKey of N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The InChIKey is MLNKDKOPXWLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-6-15(23)21-17-20-13(5)19-16(22-17)18-11(3)7-8-14-10(2)9-12(4)24-14/h9,11H,6-8H2,1-5H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide has a molecular weight of 347.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 22090956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).